β-[3-D-Glucopyranosyl-2,3,6-trihydroxy-5-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-4-oxo-1,5-cyclohexadien-1-yl]-4-hydroxybenzenepropanoic acid

CAS Registry Number®

126093-98-9

CAS Name

β-[3-D-Glucopyranosyl-2,3,6-trihydroxy-5-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-4-oxo-1,5-cyclohexadien-1-yl]-4-hydroxybenzenepropanoic acid

Molecular Formula

C30H30O14

Molecular Mass

614.55

Cite this Page

β-[3-D-Glucopyranosyl-2,3,6-trihydroxy-5-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-4-oxo-1,5-cyclohexadien-1-yl]-4-hydroxybenzenepropanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=126093-98-9 (retrieved 2024-11-24) (CAS RN: 126093-98-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H30O14/c31-12-19-23(37)25(39)26(40)29(44-19)30(43)27(41)21(17(11-20(35)36)14-4-8-16(33)9-5-14)24(38)22(28(30)42)18(34)10-3-13-1-6-15(32)7-2-13/h1-10,17,19,23,25-26,29,31-33,37-41,43H,11-12H2,(H,35,36)

InChIKey

InChIKey=CCEKPTFNQKNHKZ-UHFFFAOYSA-N

SMILES

OC1(C(O)=C(C(CC(O)=O)C2=CC=C(O)C=C2)C(O)=C(C(C=CC3=CC=C(O)C=C3)=O)C1=O)C4OC(CO)C(O)C(O)C4O

Canonical SMILES

O=C(O)CC(C1=CC=C(O)C=C1)C=2C(O)=C(C(=O)C=CC3=CC=C(O)C=C3)C(=O)C(O)(C2O)C4OC(CO)C(O)C(O)C4O

Other Names for this Substance

  • Benzenepropanoic acid, β-[3-D-glucopyranosyl-2,3,6-trihydroxy-5-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-4-oxo-1,5-cyclohexadien-1-yl]-4-hydroxy-
  • Benzenepropanoic acid, β-[3-D-glucopyranosyl-2,3,6-trihydroxy-5-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-4-oxo-1,5-cyclohexadien-1-yl]-4-hydroxy-
  • β-[3-D-Glucopyranosyl-2,3,6-trihydroxy-5-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-4-oxo-1,5-cyclohexadien-1-yl]-4-hydroxybenzenepropanoic acid
  • Safflomin C

CAS INSIGHTSTM
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